N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride

C7H14ClNO3S — CID 61433914

IUPACN-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride
SMILESCCN(CC1CCCO1)S(=O)(=O)Cl
InChIInChI=1S/C7H14ClNO3S/c1-2-9(13(8,10)11)6-7-4-3-5-12-7/h7H,2-6H2,1H3
InChIKeyFRPWNDNUHBHZSX-UHFFFAOYSA-N
MW227.71 g/mol
LogP0.97
Rot. Bonds4

About N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride

N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride (PubChem CID 61433914) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride
PubChem CID61433914
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride
SMILESCCN(CC1CCCO1)S(=O)(=O)Cl
InChIInChI=1S/C7H14ClNO3S/c1-2-9(13(8,10)11)6-7-4-3-5-12-7/h7H,2-6H2,1H3
InChIKeyFRPWNDNUHBHZSX-UHFFFAOYSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride (CID 61433914) is N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride is CCN(CC1CCCO1)S(=O)(=O)Cl.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride?
The InChIKey is FRPWNDNUHBHZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c1-2-9(13(8,10)11)6-7-4-3-5-12-7/h7H,2-6H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride?
N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride has a molecular weight of 227.71 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)sulfamoyl chloride is sourced from PubChem (CID 61433914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).